2-(4,5,6,7-tetrahydro-1,2,3-benzothiadiazol-4-yl)ethanamine

C8H13N3S — CID 83876322

IUPAC2-(4,5,6,7-tetrahydro-1,2,3-benzothiadiazol-4-yl)ethanamine
SMILESNCCC1CCCc2snnc21
InChIInChI=1S/C8H13N3S/c9-5-4-6-2-1-3-7-8(6)10-11-12-7/h6H,1-5,9H2
InChIKeyCXTNCGUCWSKJFU-UHFFFAOYSA-N
MW183.28 g/mol
LogP1.31
Rot. Bonds2

About 2-(4,5,6,7-tetrahydro-1,2,3-benzothiadiazol-4-yl)ethanamine

2-(4,5,6,7-tetrahydro-1,2,3-benzothiadiazol-4-yl)ethanamine (PubChem CID 83876322) has the molecular formula C8H13N3S and a molecular weight of 183.28 g/mol. Its IUPAC name is 2-(4,5,6,7-tetrahydro-1,2,3-benzothiadiazol-4-yl)ethanamine.

Molecular Properties

Compound Name2-(4,5,6,7-tetrahydro-1,2,3-benzothiadiazol-4-yl)ethanamine
PubChem CID83876322
Molecular FormulaC8H13N3S
Molecular Weight183.28 g/mol
Exact Mass183.08
IUPAC Name2-(4,5,6,7-tetrahydro-1,2,3-benzothiadiazol-4-yl)ethanamine
SMILESNCCC1CCCc2snnc21
InChIInChI=1S/C8H13N3S/c9-5-4-6-2-1-3-7-8(6)10-11-12-7/h6H,1-5,9H2
InChIKeyCXTNCGUCWSKJFU-UHFFFAOYSA-N
XLogP1.31
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.28
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(4,5,6,7-tetrahydro-1,2,3-benzothiadiazol-4-yl)ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(4,5,6,7-tetrahydro-1,2,3-benzothiadiazol-4-yl)ethanamine?
The IUPAC name of 2-(4,5,6,7-tetrahydro-1,2,3-benzothiadiazol-4-yl)ethanamine (CID 83876322) is 2-(4,5,6,7-tetrahydro-1,2,3-benzothiadiazol-4-yl)ethanamine.
What is the SMILES notation for 2-(4,5,6,7-tetrahydro-1,2,3-benzothiadiazol-4-yl)ethanamine?
The canonical SMILES for 2-(4,5,6,7-tetrahydro-1,2,3-benzothiadiazol-4-yl)ethanamine is NCCC1CCCc2snnc21.
What is the InChIKey of 2-(4,5,6,7-tetrahydro-1,2,3-benzothiadiazol-4-yl)ethanamine?
The InChIKey is CXTNCGUCWSKJFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3S/c9-5-4-6-2-1-3-7-8(6)10-11-12-7/h6H,1-5,9H2.
What are the key properties of 2-(4,5,6,7-tetrahydro-1,2,3-benzothiadiazol-4-yl)ethanamine?
2-(4,5,6,7-tetrahydro-1,2,3-benzothiadiazol-4-yl)ethanamine has a molecular weight of 183.28 g/mol, XLogP of 1.31, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5,6,7-tetrahydro-1,2,3-benzothiadiazol-4-yl)ethanamine is sourced from PubChem (CID 83876322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).